SCHEMBL7597196

SCHEMBL7597196

CN(CCO)Cc1cc(NC(=N)c2cccs2)ccc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
KMT2A Q03164 4/20 0.36
QRFPR Q96P65 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
LTA4H P09960 2/20 0.35
SLC6A9 P48067 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7599078 0.99 ATM (0.38) ATMKMT2AQRFPRKDM4ETDP1
SCHEMBL7971729 0.88 QRFPR (0.47) KMT2AQRFPRKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7598799 0.87 QRFPR (0.46) KMT2AQRFPRKDM4EMEN1ALDH1A1
SCHEMBL7563123 0.85 ATM (0.44) ATMKMT2AQRFPRKDM4ETDP1
SCHEMBL7598787 0.85 KMT2A (0.39) KMT2AQRFPRKDM4EMEN1ALDH1A1
SCHEMBL7602422 0.83 QRFPR (0.36) KMT2AQRFPRKDM4EMEN1ALDH1A1
SCHEMBL7598660 0.83 CARM1 (0.44) KMT2AQRFPRKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7599408 0.83 QRFPR (0.35) KMT2AQRFPRKDM4EMEN1ALDH1A1
SCHEMBL7566508 0.83 SLC6A4 (0.50) ATMKMT2AQRFPRMEN1ALDH1A1
SCHEMBL7973644 0.82 ATM (0.44) ATMKMT2AQRFPRKDM4ETDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US claimed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 ATM 3525/4885KMT2A 3787/4885QRFPR 1455/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.